KEGG   COMPOUND: C22497
Entry
C22497                      Compound                               
Name
alpha-Isomaltosyl-(1->4)-maltotriose
Formula
C30H52O26
Exact mass
828.2747
Mol weight
828.72
Structure
Reaction
Enzyme
Other DBs
PubChem: 497619856
LinkDB
KCF data

ATOM        56
            1   C1y C     8.9983  -19.4076
            2   O2x O     7.7770  -18.7097
            3   O2a O    10.2021  -18.7040
            4   C1y C     8.9983  -20.8035
            5   C1y C     6.5788  -19.4134
            6   C1b C    11.2667  -17.7966
            7   C1y C     7.7770  -21.5014
            8   O1a O    10.1965  -21.5712
            9   C1y C     6.5788  -20.8035
            10  C1b C     5.3691  -18.7097
            11  C1y C    12.4763  -18.4945
            12  O1a O     7.7770  -22.8973
            13  O1a O     5.3691  -21.5014
            14  O1a O     4.3049  -19.6170
            15  C1y C    12.4763  -19.8904
            16  O2x O    13.6744  -17.7966
            17  C1y C    13.6744  -20.5882
            18  O1a O    11.2667  -20.5882
            19  C1y C    14.8898  -18.4945
            20  C1y C    14.8898  -19.8904
            21  O1a O    13.6744  -21.9841
            22  O1a O    16.0937  -20.5882
            23  C1y C    23.4147  -14.3928
            24  C1y C    23.4147  -13.0977
            25  O2a O    21.6938  -15.0165
            26  C1y C    24.5540  -15.0464
            27  O2x O    24.5540  -12.4382
            28  C1b C    22.2875  -12.4443
            29  C1y C    19.7033  -15.8319
            30  C1y C    25.6873  -14.3928
            31  O1a O    24.5540  -16.3535
            32  C1y C    25.6873  -13.0977
            33  O1a O    21.1604  -13.0977
            34  O2x O    18.5701  -15.1784
            35  C1y C    19.7033  -17.1330
            36  O1a O    26.8144  -15.0464
            37  O2a O    27.7139  -11.9945
            38  C1y C    17.4308  -15.8319
            39  C1y C    18.5701  -17.7866
            40  O1a O    20.8305  -17.7866
            41  C1y C    29.5545  -10.9992
            42  C1y C    17.4308  -17.1330
            43  C1b C    16.3038  -15.1843
            44  O1a O    18.5701  -19.0937
            45  C1y C    29.5545   -9.6981
            46  C1y C    30.6938  -11.6468
            47  O2a O    16.3096  -17.7866
            48  O1a O    15.1705  -15.8319
            49  O2x O    30.6938   -9.0386
            50  C1b C    28.4213   -9.0446
            51  C1y C    31.8210  -10.9992
            52  O1a O    30.6938  -12.9599
            53  C1y C    31.8210   -9.6981
            54  O1a O    27.1922   -9.7461
            55  O1a O    32.9543  -11.6468
            56  O1a O    32.9543   -9.0386
BOND        60
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 1
            9     5  10 1 #Up
            10   11   6 1 #Up
            11    7  12 1 #Up
            12    9  13 1 #Down
            13   10  14 1
            14   11  15 1
            15   11  16 1
            16   15  17 1
            17   15  18 1 #Down
            18   16  19 1
            19   17  20 1
            20   17  21 1 #Up
            21   20  22 1 #Down
            22    7   9 1
            23   19  20 1
            24   23  24 1
            25   23  25 1 #Down
            26   23  26 1
            27   24  27 1
            28   24  28 1 #Up
            29   29  25 1 #Down
            30   26  30 1
            31   26  31 1 #Up
            32   27  32 1
            33   28  33 1
            34   29  34 1
            35   29  35 1
            36   30  36 1 #Down
            37   32  37 1 #Down
            38   34  38 1
            39   35  39 1
            40   35  40 1 #Down
            41   41  37 1 #Down
            42   38  42 1
            43   38  43 1 #Up
            44   39  44 1 #Up
            45   41  45 1
            46   41  46 1
            47   42  47 1 #Down
            48   43  48 1
            49   45  49 1
            50   45  50 1 #Up
            51   46  51 1
            52   46  52 1 #Up
            53   49  53 1
            54   50  54 1
            55   51  55 1 #Down
            56   53  56 1
            57   30  32 1
            58   39  42 1
            59   51  53 1
            60   19  47 1 #Down

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